3-(cyclohexylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-(cyclohexylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(cyclohexylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(cyclohexylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(cyclohexylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(cyclohexylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H26N3+ MolecularWeight: 284.41914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)NC3CCCCC3)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)NC3CCCCC3)C#N

InChI

InChI=1S/C18H25N3/c1-2-17-15-11-7-6-10-14(15)16(12-19)18(21-17)20-13-8-4-3-5-9-13/h13H,2-11H2,1H3,(H,20,21)/p+1